smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)CCC/C(=N\OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742760	525110521	/nfs/dbraw/zinc/11/05/21/525110521.db2.gz	OFKKQTQFWWIRBD-VNNJMEEBSA-N	-1	0	439.486	-2.523	40	30	in-man	IAEBRM
CS(=O)(=O)CCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742761	556064475	/nfs/dbraw/zinc/06/44/75/556064475.db2.gz	OFKKQTQFWWIRBD-XNUBBQBOSA-N	-1	0	439.486	-2.523	40	30	in-man	IAEBRM
C[S@@](=O)CCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000030160161	525362344	/nfs/dbraw/zinc/36/23/44/525362344.db2.gz	GMMLNKINDDUDCF-FQEOZIEASA-N	-1	0	437.514	-1.799	40	30	in-vitro	IAEBRM
C[S@](=O)CCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000030160165	557770335	/nfs/dbraw/zinc/77/03/35/557770335.db2.gz	GMMLNKINDDUDCF-GQAHJZFWSA-N	-1	0	437.514	-1.799	40	30	in-vitro	IAEBRM
CS(=O)(=O)CCC/C(=N/OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034943345	525110975	/nfs/dbraw/zinc/11/09/75/525110975.db2.gz	OFKKQTQFWWIRBD-INZHKSROSA-N	-1	0	439.486	-2.523	40	30		IAEBRM
CS(=O)(=O)CCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034943346	525110936	/nfs/dbraw/zinc/11/09/36/525110936.db2.gz	OFKKQTQFWWIRBD-KYOHTCFJSA-N	-1	0	439.486	-2.523	40	30		IAEBRM
C[S@@](=O)/C=C\CC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038792093	1068687501	/nfs/dbraw/zinc/68/75/01/1068687501.db2.gz	ZFLXCZJBYSPSKU-IQLIMIAZSA-N	-1	0	435.498	-1.675	40	30	biogenic,in-vitro	IAEBRM
C[S@](=O)/C=C\CC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000038792094	1068687523	/nfs/dbraw/zinc/68/75/23/1068687523.db2.gz	ZFLXCZJBYSPSKU-MHHOTVTRSA-N	-1	0	435.498	-1.675	40	30	biogenic,in-vitro	IAEBRM
CC(=O)N(O)CCCCCNC(=O)[C@](O)(CC(=O)[O-])CC(=O)NCCCN(O)C(C)=O	ZINC000203418898	560036396	/nfs/dbraw/zinc/03/63/96/560036396.db2.gz	LMCOVLVJSBQVNA-GOSISDBHSA-N	-1	0	448.473	-1.150	40	30	biogenic,in-vitro	IAEBRM
CC(=O)N(O)CCCCCNC(=O)[C@@](O)(CC(=O)[O-])CC(=O)NCCCN(O)C(C)=O	ZINC000203418906	560036386	/nfs/dbraw/zinc/03/63/86/560036386.db2.gz	LMCOVLVJSBQVNA-SFHVURJKSA-N	-1	0	448.473	-1.150	40	30	biogenic,in-vitro	IAEBRM
O=S(=O)([O-])ON=C(C[C@@H](O)c1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000255211637	527261097	/nfs/dbraw/zinc/26/10/97/527261097.db2.gz	GAPDDBFHNYHZIS-DKJTXKKOSA-N	-1	0	439.464	-1.224	40	30	in-vitro	IAEBRM
C[S@](=O)CCCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000255212802	568650522	/nfs/dbraw/zinc/65/05/22/568650522.db2.gz	GMMLNKINDDUDCF-YYSSDTNZSA-N	-1	0	437.514	-1.799	40	30	in-vitro	IAEBRM
CS(=O)(=O)CCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000255252415	568650939	/nfs/dbraw/zinc/65/09/39/568650939.db2.gz	OFKKQTQFWWIRBD-ZHVGPZTNSA-N	-1	0	439.486	-2.523	40	30	in-vitro	IAEBRM
C[S@](=O)/C=C\CCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000255286905	568651292	/nfs/dbraw/zinc/65/12/92/568651292.db2.gz	ZFLXCZJBYSPSKU-BYOHGGGKSA-N	-1	0	435.498	-1.675	40	30		IAEBRM
C[S@](=O)/C=C/CCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000255286906	525378884	/nfs/dbraw/zinc/37/88/84/525378884.db2.gz	ZFLXCZJBYSPSKU-DNKUMYHESA-N	-1	0	435.498	-1.675	40	30	in-vitro	IAEBRM
C[S@@](=O)CCCCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000263614315	525362267	/nfs/dbraw/zinc/36/22/67/525362267.db2.gz	GMMLNKINDDUDCF-ZKJAMTCGSA-N	-1	0	437.514	-1.799	40	30	in-vitro	IAEBRM
C[S@@](=O)/C=C\CCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000299888831	525360143	/nfs/dbraw/zinc/36/01/43/525360143.db2.gz	ZFLXCZJBYSPSKU-UTPOCJCLSA-N	-1	0	435.498	-1.675	40	30		IAEBRM
C[S@@](=O)/C=C/CCC(=NOS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000299888832	525359165	/nfs/dbraw/zinc/35/91/65/525359165.db2.gz	ZFLXCZJBYSPSKU-YNCSXJHCSA-N	-1	0	435.498	-1.675	40	30	in-vitro	IAEBRM
CC(=O)N(O)CCCCNC(=O)[C@@](O)(CC(=O)[O-])CC(=O)NCCCN(O)C(C)=O	ZINC000514287809	560035907	/nfs/dbraw/zinc/03/59/07/560035907.db2.gz	CLFYHFVHWDBLRE-KRWDZBQOSA-N	-1	0	434.446	-1.540	40	30	biogenic,in-vitro	IAEBRM
CC(=O)N(O)CCCCNC(=O)[C@](O)(CC(=O)[O-])CC(=O)NCCCN(O)C(C)=O	ZINC000514287811	560035903	/nfs/dbraw/zinc/03/59/03/560035903.db2.gz	CLFYHFVHWDBLRE-QGZVFWFLSA-N	-1	0	434.446	-1.540	40	30	biogenic,in-vitro	IAEBRM